ethyl 6-(dimethylamino)-3-[(4-ethanoylpiperazin-1-yl)methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 6-(dimethylamino)-3-[(4-ethanoylpiperazin-1-yl)methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-[(4-acetylpiperazin-1-yl)methyl]-6-(dimethylamino)-4-oxo-1H-quinoline-2-carboxylate CAS Name: 3-[(4-acetyl-1-piperazinyl)methyl]-6-(dimethylamino)-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-acetylpiperazin-1-yl)methyl]-6-(dimethylamino)-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 3-[(4-acetylpiperazino)methyl]-6-(dimethylamino)-4-keto-1H-quinoline-2-carboxylic acid ethyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H28N4O4/c1-5-29-21(28)19-17(13-24-8-10-25(11-9-24)14(2)26)20(27)16-12-15(23(3)4)6-7-18(16)22-19/h6-7,12H,5,8-11,13H2,1-4H3,(H,22,27)